N-methyl-3-[7-oxidanylidene-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-5,6-dihydro-2H-azepin-6-yl]benzenesulfonamide

Systemtic Name: N-methyl-3-[7-oxidanylidene-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-5,6-dihydro-2H-azepin-6-yl]benzenesulfonamide Openeye Name: N-methyl-3-[7-oxo-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-5,6-dihydro-2H-azepin-6-yl]benzenesulfonamide CAS Name: N-methyl-3-[7-oxo-1-[1-phenyl-2-(1-pyrrolidinyl)ethyl]-5,6-dihydro-2H-azepin-6-yl]benzenesulfonamide IUPAC Name: N-methyl-3-[7-oxo-1-(1-phenyl-2-pyrrolidin-1-ylethyl)-5,6-dihydro-2H-azepin-6-yl]benzenesulfonamide Traditional Name: 3-[7-keto-1-(1-phenyl-2-pyrrolidino-ethyl)-5,6-dihydro-2H-azepin-6-yl]-N-methyl-benzenesulfonamide Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC=CC(=C1)C2CC=CCN(C2=O)C(CN3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CNS(=O)(=O)C1=CC=CC(=C1)C2CC=CCN(C2=O)C(CN3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H31N3O3S/c1-26-32(30,31)22-13-9-12-21(18-22)23-14-5-6-17-28(25(23)29)24(19-27-15-7-8-16-27)20-10-3-2-4-11-20/h2-6,9-13,18,23-24,26H,7-8,14-17,19H2,1H3